Características Generales
| NatID | 991 |
| Nombre Común | NatID_991 |
| Fórmula Molecular | C15H26O |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 222.198 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=C[C@]1(C)CC[C@@H](C(C)(C)O)C[C@H]1C(=C)C |
| Inchi | InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1 |
| Inchi Key | GFJIQNADMLPFOW-VNHYZAJKSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.94 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Enlaces Rotables | 3 |
| Anillos aromáticos | 0 |
| Átomos pesados | 16 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 1 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9089 | Xenophyllum incisum | No | Very High | de Marchese, M. J. A., Heluani, C. S. de, Catalán, C. A. N., Griffin, C. A., Vaughn, J. B., & Herz, W. (2007). Incisol, an alcohol with a novel sesquiterpene skeleton from Xenophyllum incisum. Biochemical Systematics and Ecology, 35(3), 169–175. https://doi.org/10.1016/j.bse.2006.10.006 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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